Synthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2-Amino Substituted Benzonaphthyridines as PDK1 Inhibitors

Prabha K., Satheeshkumar R., Nasif V., Saranya J., SAYIN K., Natarajan J., ...Daha Fazla

CHEMISTRYSELECT, cilt.7, sa.13, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 7 Sayı: 13
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1002/slct.202200288
  • Dergi Adı: CHEMISTRYSELECT
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Anahtar Kelimeler: Cytotoxicity, DFT calculations, 1, 6-Naphthyridin-2-amines, PDK 1 inhibitors, CATALYZED AMINATION, POTENT INHIBITORS, DISCOVERY, DESIGN, DERIVATIVES, DOCKING, AGENTS, DRUGS, SAR
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

The present work emphasizes the utility of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine as starting precursors. The reaction of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine with a variety of aliphatic and aromatic amines yielded 2-amino substituted 2,4-dichlorobenzo[h]naphthyridines. All the compounds were examined for their in vitro anticancer activity against six human cancer lines and docked with PDK1 inhibitors. The structure-activity relationship studies are revealed that the compounds holding aminocarbazole moiety and triazole amine moiety improve the activity profile. All the structures of synthesized compounds were optimized at B3LYP-D3/6-31G(d) level in the water. Furthermore, the electronic properties and biological reactivity of the synthesized compounds are explored using computational techniques.